>compound D-Gluconic acid_D-Gluconic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C6H12O7
#smiles OCC(O)C(O)C(O)C(O)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100708.txt
>charge -1
>ionization [M-H]-
>parentmass 195.0505

>collision 5-60
59.0153 20.71
71.0149 24.69
75.0096 226.9
85.0304 23.67
87.0081 44.13
99.0085 72.34
129.0188 158.4
177.0404 14.82
195.0505 292.0

